Name: Name:4-[4-[[5-Chloro-4-[[2-[(propan-2-yl)sulfonyl]phenyl]amino]pyrimidin-2-yl]amino]-5-isopropoxy-2-methylphenyl]piperidine-1-carboxylic acid tert-butyl ester
Brand: Angene
SKU: AG008TL8
Rating: 90 (10 reviews)

4-[4-[[5-Chloro-4-[[2-[(propan-2-yl)sulfonyl]phenyl]amino]pyrimidin-2-yl]amino]-5-isopropoxy-2-methylphenyl]piperidine-1-carboxylic acid tert-butyl ester

CAS No.:

1032903-64-2

Catalog Number:

AG008TL8

Molecular Formula:

C33H44ClN5O5S

Molecular Weight:

658.2510

Catalog Number:

AG008TL8

Chemical Name:

4-[4-[[5-Chloro-4-[[2-[(propan-2-yl)sulfonyl]phenyl]amino]pyrimidin-2-yl]amino]-5-isopropoxy-2-methylphenyl]piperidine-1-carboxylic acid tert-butyl ester

CAS Number:

1032903-64-2

Molecular Formula:

C33H44ClN5O5S

Molecular Weight:

658.2510

MDL Number:

MFCD28347653

IUPAC Name:

tert-butyl 4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-2-methyl-5-propan-2-yloxyphenyl]piperidine-1-carboxylate

InChI:

InChI=1S/C33H44ClN5O5S/c1-20(2)43-28-18-24(23-13-15-39(16-14-23)32(40)44-33(6,7)8)22(5)17-27(28)37-31-35-19-25(34)30(38-31)36-26-11-9-10-12-29(26)45(41,42)21(3)4/h9-12,17-21,23H,13-16H2,1-8H3,(H2,35,36,37,38)

InChI Key:

XZEGNDOSDCUVAJ-UHFFFAOYSA-N

SMILES:

CC(Oc1cc(C2CCN(CC2)C(=O)OC(C)(C)C)c(cc1Nc1ncc(c(n1)Nc1ccccc1S(=O)(=O)C(C)C)Cl)C)C

Complexity:

1060

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

657.275g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

658.255g/mol

Monoisotopic Mass:

657.275g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

131A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

7.7